Chemical Properties of 1,4-Diethylcyclohexane (CAS 1679-00-1)

InChI

InChI=1S/C10H20/c1-3-9-5-7-10(4-2)8-6-9/h9-10H,3-8H2,1-2H3

InChI Key

SMAKEJNOUFLEEJ-UHFFFAOYSA-N

Formula

C10H20

SMILES

CCC1CCC(CC)CC1

Molecular Weight¹

140.27

CAS

1679-00-1

Other Names

• Cyclohexane, 1,4-diethyl

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3122		Relay (1.0) Calculated Property
ΔfG°	50.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-208.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.56	kJ/mol	Joback Calculated Property
ΔvapH°	49.36	kJ/mol	Relay (1.0) Calculated Property
IE	9.17	eV	Relay (1.0) Calculated Property
log10WS	-5.43		Relay (1.0) Calculated Property
logPoct/wat	3.613		Crippen Calculated Property
McVol	140.900	ml/mol	McGowan Calculated Property
Pc	2485.07	kPa	Joback Calculated Property
Inp	[1032.00; 1105.00]
Inp	1072.00		NIST
Inp	1105.00		NIST
Inp	1032.00		NIST
Inp	1060.00		NIST
Inp	1072.00		NIST
Inp	1072.00		NIST
Tboil	458.70 ± 3.00	K	NIST
Tc	638.34	K	Relay (1.0) Calculated Property
Tfus	214.25	K	Relay (1.0) Calculated Property
Vc	0.510	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[261.10; 311.00]	J/mol×K	[310.00; 420.00]
Cp,liquid	264.30	J/mol×K	310.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	261.10	J/mol×K	313.00	NIST
Cp,liquid	265.50	J/mol×K	320.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	267.40	J/mol×K	330.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	269.80	J/mol×K	340.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	272.90	J/mol×K	350.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	276.50	J/mol×K	360.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	280.70	J/mol×K	370.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	285.60	J/mol×K	380.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	291.00	J/mol×K	390.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	297.10	J/mol×K	400.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	303.70	J/mol×K	410.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	311.00	J/mol×K	420.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.77; 526.97]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-6.58680e+01
Coefficient B			1.04944e+00
Coefficient C			-5.45800e-04
Coefficient D			8.92000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.77	J/mol×K	273.00	Calculated Property
Cp,gas	241.04	J/mol×K	353.78	Calculated Property
Cp,gas	294.42	J/mol×K	434.56	Calculated Property
Cp,gas	342.20	J/mol×K	515.33	Calculated Property
Cp,gas	384.66	J/mol×K	596.11	Calculated Property
Cp,gas	422.08	J/mol×K	676.89	Calculated Property
Cp,gas	454.73	J/mol×K	757.67	Calculated Property
Cp,gas	482.91	J/mol×K	838.44	Calculated Property
Cp,gas	506.90	J/mol×K	919.22	Calculated Property
Cp,gas	526.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0050164; 0.0002575]	Pa×s	[205.60; 447.87]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.07844e+01
Coefficient B			1.12862e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			205.60
Temperature range, max.			447.87
η	0.0050164	Pa×s	205.60	Calculated Property
η	0.0026571	Pa×s	232.52	Calculated Property
η	0.0016058	Pa×s	259.44	Calculated Property
η	0.0010668	Pa×s	286.36	Calculated Property
η	0.0007603	Pa×s	313.27	Calculated Property
η	0.0005717	Pa×s	340.19	Calculated Property
η	0.0004483	Pa×s	367.11	Calculated Property
η	0.0003634	Pa×s	394.03	Calculated Property
η	0.0003025	Pa×s	420.95	Calculated Property
η	0.0002575	Pa×s	447.87	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Diethylcyclohexane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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